N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine

C12H15ClN2 — CID 115263355

IUPACN-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2ccccc2c1CCNCCl
InChIInChI=1S/C12H15ClN2/c1-9-10(6-7-14-8-13)11-4-2-3-5-12(11)15-9/h2-5,14-15H,6-8H2,1H3
InChIKeyZCNXBKGBDQUROO-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.80
Rot. Bonds4

About N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine

N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine (PubChem CID 115263355) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine
PubChem CID115263355
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC NameN-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2ccccc2c1CCNCCl
InChIInChI=1S/C12H15ClN2/c1-9-10(6-7-14-8-13)11-4-2-3-5-12(11)15-9/h2-5,14-15H,6-8H2,1H3
InChIKeyZCNXBKGBDQUROO-UHFFFAOYSA-N
XLogP2.80
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine
CID 12758180
3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile
CID 115231100
N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 96658400
N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 134536528
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 2049800
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
2-(ethylamino)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115158041
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine (CID 115263355) is N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine is Cc1[nH]c2ccccc2c1CCNCCl.
What is the InChIKey of N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is ZCNXBKGBDQUROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-9-10(6-7-14-8-13)11-4-2-3-5-12(11)15-9/h2-5,14-15H,6-8H2,1H3.
What are the key properties of N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine?
N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 222.72 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 115263355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).